N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide

C12H16F3N3OS — CID 75414648

IUPACN-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)20-8-11(19)17-10-6-7-16-18(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,17,19)
InChIKeySGZGYADGDDIZEG-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.58
Rot. Bonds4

About N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide

N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 75414648) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID75414648
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)20-8-11(19)17-10-6-7-16-18(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,17,19)
InChIKeySGZGYADGDDIZEG-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide (CID 75414648) is N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is SGZGYADGDDIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c13-12(14,15)20-8-11(19)17-10-6-7-16-18(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,17,19).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide?
N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 307.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 75414648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).